SCHEMBL29952670

SCHEMBL29952670

Cc1cc2[nH]cc(C=O)c2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
HASPIN Q8TF76 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CYP2A6 P11509 2/20 0.47
IMPDH2 P12268 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PIM3 Q86V86 3/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
KMT2A Q03164 1/20 0.40
TDO2 P48775 1/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29950684 0.81 CCNT1 (0.49) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL29952935 0.79 CCNT1 (0.48) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL29955375 0.79 CYP2A6 (0.56) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL29952671 0.79 CCNT1 (0.48) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL16597854 0.79 CYP2A6 (0.56) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL23726991 0.79 CCNT1 (0.48) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL3033737 0.79 MAPT (0.55) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL7922361 0.76 ATM (0.42) HASPINMAPTCYP2A6CYP1A2PIM3
SCHEMBL29950941 0.76 CCNT1 (0.44) CCNT1CDK9HASPINALDH1A1KDM4E
SCHEMBL17066999 0.74 TDO2 (0.38) HASPINMAPTTDO2ABL1NFATC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed